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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3814",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=3812",
"results": [
{
"id": "jvasp-24911",
"created_at": "2022-09-04T14:37:43.825430Z",
"updated_at": "2022-09-04T14:37:43.825456Z",
"structure_string": "Ca4 Ga4 B4 O16\n1.0\n5.896721 0.000000 0.000000\n0.000000 7.354268 -3.942112\n0.000000 -0.004292 8.822984\nCa Ga B O\n4 4 4 16\ndirect\n0.899702 0.448096 0.180885 Ca\n0.399703 0.732789 0.180885 Ca\n0.899702 0.551904 0.819115 Ca\n0.399703 0.267212 0.819115 Ca\n0.627509 0.224748 0.411633 Ga\n0.127509 0.813116 0.588367 Ga\n0.127509 0.186885 0.411633 Ga\n0.627509 0.775252 0.588367 Ga\n0.358463 0.651821 0.784710 B\n0.858463 0.132889 0.784710 B\n0.358463 0.348180 0.215290 B\n0.858463 0.867111 0.215290 B\n0.166564 0.719166 0.742595 O\n0.666564 0.023429 0.742594 O\n0.882780 0.309549 0.543644 O\n0.075887 0.064156 0.729602 O\n0.666564 0.976572 0.257406 O\n0.575886 0.334553 0.270398 O\n0.382780 0.234095 0.543643 O\n0.323095 0.428798 0.113533 O\n0.075887 0.935844 0.270398 O\n0.323095 0.571203 0.886467 O\n0.823095 0.315267 0.886467 O\n0.882780 0.690451 0.456357 O\n0.823095 0.684734 0.113533 O\n0.166564 0.280834 0.257406 O\n0.382780 0.765906 0.456357 O\n0.575886 0.665448 0.729602 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ca",
"Ga",
"B",
"O"
],
"chemical_system": "B-Ca-Ga-O",
"density": 3.205613112794988,
"density_atomic": 0.07319910435761258,
"volume": 382.5183415251453,
"volume_molar": 8.227068914093492,
"formula_full": "Ca4 Ga4 B4 O16",
"formula_reduced": "CaGaBO4",
"formula_anonymous": "ABCD4",
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"spacegroup": 37
},
{
"id": "jvasp-21726",
"created_at": "2022-09-04T14:38:34.210007Z",
"updated_at": "2022-09-04T14:38:34.210031Z",
"structure_string": "Ca4 Ga4 Au4\n1.0\n4.561345 0.000000 0.000000\n-0.000000 7.257510 0.000000\n0.000000 0.000000 7.775772\nCa Ga Au\n4 4 4\ndirect\n0.750001 0.494267 0.796715 Ca\n0.250000 0.005733 0.296715 Ca\n0.750001 0.994267 0.703284 Ca\n0.250000 0.505733 0.203285 Ca\n0.250000 0.185285 0.919474 Ga\n0.750001 0.314715 0.419474 Ga\n0.250000 0.685285 0.580525 Ga\n0.750001 0.814715 0.080525 Ga\n0.250000 0.790383 0.908381 Au\n0.750001 0.209617 0.091619 Au\n0.250000 0.290383 0.591618 Au\n0.750001 0.709617 0.408381 Au\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Au"
],
"chemical_system": "Au-Ca-Ga",
"density": 7.91579340962199,
"density_atomic": 0.04661837851213441,
"volume": 257.4092103370024,
"volume_molar": 12.917954146415628,
"formula_full": "Ca4 Ga4 Au4",
"formula_reduced": "CaGaAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-92696",
"created_at": "2022-09-04T14:35:47.381501Z",
"updated_at": "2022-09-04T14:35:47.381525Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n-2.013151 -3.486879 -0.000000\n2.013151 -3.486879 -0.000000\n0.000000 -2.324586 8.340351\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.450960 0.450960 0.647121 Ga\n0.549041 0.549041 0.352879 Ga\n0.257440 0.257440 0.227678 As\n0.742560 0.742560 0.772322 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.6709142385794165,
"density_atomic": 0.04270143328226704,
"volume": 117.09208838374963,
"volume_molar": 14.102900762586025,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712897139999998,
"spacegroup": 166
},
{
"id": "jvasp-63137",
"created_at": "2022-09-04T14:35:48.758271Z",
"updated_at": "2022-09-04T14:35:48.758297Z",
"structure_string": "Ca1 Ga2 As2\n1.0\n8.421745 -2.012976 -0.000753\n8.421745 2.012976 -0.000753\n7.940909 0.000000 3.452510\nCa Ga As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.549026 0.549026 0.549028 Ga\n0.450973 0.450973 0.450974 Ga\n0.742565 0.742565 0.742567 As\n0.257434 0.257434 0.257434 As\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"As"
],
"chemical_system": "As-Ca-Ga",
"density": 4.671265121447622,
"density_atomic": 0.04270464104858885,
"volume": 117.08329299176306,
"volume_molar": 14.101841420814374,
"formula_full": "Ca1 Ga2 As2",
"formula_reduced": "Ca(GaAs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.5712817139999999,
"spacegroup": 166
},
{
"id": "jvasp-14561",
"created_at": "2022-09-04T14:35:53.588792Z",
"updated_at": "2022-09-04T14:35:53.588820Z",
"structure_string": "Ca1 Ga4\n1.0\n4.107404 -0.003511 1.510653\n-0.514661 4.075034 1.510653\n0.020532 0.023267 6.123421\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.404772 0.404772 0.230682 Ga\n0.595227 0.595227 0.769317 Ga\n0.232526 0.767473 0.500000 Ga\n0.767472 0.232527 0.500000 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.182977573128473,
"density_atomic": 0.04892720398797578,
"volume": 102.19263707014173,
"volume_molar": 12.30836890143975,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.0,
"spacegroup": 12
},
{
"id": "jvasp-20263",
"created_at": "2022-09-04T14:37:38.010172Z",
"updated_at": "2022-09-04T14:37:38.010195Z",
"structure_string": "Ca1 Ga4\n1.0\n4.099330 -0.000000 -1.535867\n-0.575432 4.058741 -1.535867\n-0.025922 -0.029857 6.169436\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ga\n0.250001 0.749999 0.500000 Ga\n0.384822 0.384821 0.769642 Ga\n0.615179 0.615178 0.230357 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.1789631115041175,
"density_atomic": 0.048889307551028986,
"volume": 102.27185146325034,
"volume_molar": 12.31790970595011,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.000142,
"spacegroup": 139
},
{
"id": "jvasp-20533",
"created_at": "2022-09-04T14:38:28.349262Z",
"updated_at": "2022-09-04T14:38:28.349295Z",
"structure_string": "Ca1 Ga4\n1.0\n4.099330 -0.000000 -1.535867\n-0.575432 4.058741 -1.535867\n-0.025922 -0.029857 6.169436\nCa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Ga\n0.250001 0.749999 0.500000 Ga\n0.384822 0.384821 0.769642 Ga\n0.615179 0.615178 0.230357 Ga\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 5.1789631115041175,
"density_atomic": 0.048889307551028986,
"volume": 102.27185146325034,
"volume_molar": 12.31790970595011,
"formula_full": "Ca1 Ga4",
"formula_reduced": "CaGa4",
"formula_anonymous": "AB4",
"energy_above_hull": 0.000142,
"spacegroup": 139
},
{
"id": "jvasp-21687",
"created_at": "2022-09-04T14:38:34.238637Z",
"updated_at": "2022-09-04T14:38:34.238656Z",
"structure_string": "Ca2 Ga6 Ni4\n1.0\n5.182414 0.000000 0.000000\n0.000000 6.097272 -1.299989\n0.000000 0.013515 6.234301\nCa Ga Ni\n2 6 4\ndirect\n0.250000 0.345024 0.345024 Ca\n0.749999 0.654976 0.654976 Ca\n0.749999 0.464392 0.096602 Ga\n0.749999 0.096603 0.464392 Ga\n0.250000 0.535608 0.903397 Ga\n0.749999 0.046560 0.046560 Ga\n0.250000 0.953441 0.953440 Ga\n0.250000 0.903398 0.535608 Ga\n0.500000 0.787803 0.212196 Ni\n0.000000 0.787803 0.212196 Ni\n0.000000 0.212197 0.787803 Ni\n0.500000 0.212197 0.787803 Ni\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ni"
],
"chemical_system": "Ca-Ga-Ni",
"density": 6.178107596001023,
"density_atomic": 0.06088707629203983,
"volume": 197.08615901415584,
"volume_molar": 9.890671595258244,
"formula_full": "Ca2 Ga6 Ni4",
"formula_reduced": "CaGa3Ni2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1132507874999999,
"spacegroup": 63
},
{
"id": "jvasp-90873",
"created_at": "2022-09-04T14:36:09.984147Z",
"updated_at": "2022-09-04T14:36:09.984162Z",
"structure_string": "Ca2 Ga4 Ni2\n1.0\n4.044830 0.000000 -0.000000\n-2.022415 5.148794 -0.000000\n-0.000000 0.000000 6.927487\nCa Ga Ni\n2 4 2\ndirect\n0.441478 0.882956 0.750000 Ca\n0.558521 0.117043 0.250000 Ca\n0.157849 0.315699 0.944601 Ga\n0.842149 0.684300 0.055399 Ga\n0.157849 0.315699 0.555399 Ga\n0.842149 0.684300 0.444601 Ga\n0.282357 0.564715 0.250000 Ni\n0.717642 0.435284 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Ga",
"Ni"
],
"chemical_system": "Ca-Ga-Ni",
"density": 5.483666875967897,
"density_atomic": 0.055450884476852355,
"volume": 144.27181956564738,
"volume_molar": 10.860315064070631,
"formula_full": "Ca2 Ga4 Ni2",
"formula_reduced": "CaGa2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-16464",
"created_at": "2022-09-04T14:37:37.468677Z",
"updated_at": "2022-09-04T14:37:37.468704Z",
"structure_string": "Ca2 Ga4\n1.0\n2.236646 -3.873985 0.000000\n2.236646 3.873985 -0.000000\n-0.000000 0.000000 7.344703\nCa Ga\n2 4\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.333334 0.666668 0.955714 Ga\n0.666668 0.333334 0.455714 Ga\n0.666668 0.333334 0.044285 Ga\n0.333334 0.666668 0.544285 Ga\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 4.684272888785682,
"density_atomic": 0.047140244264167054,
"volume": 127.27978171637965,
"volume_molar": 12.774946023301876,
"formula_full": "Ca2 Ga4",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-19933",
"created_at": "2022-09-04T14:36:33.845671Z",
"updated_at": "2022-09-04T14:36:33.845701Z",
"structure_string": "Ca1 Ga2\n1.0\n2.143891 -3.713328 0.000000\n2.143891 3.713328 -0.000000\n0.000000 -0.000000 4.283956\nCa Ga\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Ga\n0.333333 0.666667 0.500000 Ga\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ca",
"Ga"
],
"chemical_system": "Ca-Ga",
"density": 4.37049475107422,
"density_atomic": 0.043982533685032056,
"volume": 68.20889450079468,
"volume_molar": 13.692118792259185,
"formula_full": "Ca1 Ga2",
"formula_reduced": "CaGa2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.01423,
"spacegroup": 191
},
{
"id": "jvasp-114713",
"created_at": "2022-09-04T14:38:41.822063Z",
"updated_at": "2022-09-04T14:38:41.822080Z",
"structure_string": "Ca1 Ga1\n1.0\n3.207613 0.000000 -0.000000\n0.000000 3.207613 0.000000\n0.000000 0.000000 6.057420\nCa Ga\n1 1\ndirect\n0.000000 0.000000 0.750010 Ca\n0.000000 0.000000 0.249990 Ga\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"Ga"
],
"chemical_system": "Ca-Ga",
"density": 2.925524744969586,
"density_atomic": 0.03209064000721,
"volume": 62.32346876069308,
"volume_molar": 18.766035076417825,
"formula_full": "Ca1 Ga1",
"formula_reduced": "CaGa",
"formula_anonymous": "AB",
"energy_above_hull": 0.409685,
"spacegroup": 123
}
]
}